USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 THR OG1 : rot 150:sc= -0.447 USER MOD Set 1.2: A 106 THR OG1 : rot -59:sc= 0.0428 USER MOD Set 2.1: A 82 THR OG1 : rot 105:sc= 0.418 USER MOD Set 2.2: A 87 TYR OH : rot 15:sc= 0.913 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -0.87 F(o=-2.7,f=-0.81) USER MOD Set 3.2: A 76 TYR OH : rot -78:sc= 0.0566 USER MOD Set 4.1: A 23 HIS : no HD1:sc= -1.61 K(o=-1.8,f=-2.7) USER MOD Set 4.2: A 25 SER OG : rot -129:sc= -0.199 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -170:sc= -4.1! USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= -0.0784 (180deg=-1.06) USER MOD Single : A 37 SER OG : rot 180:sc= -1.21 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= 0.261 (180deg=0.139) USER MOD Single : A 45 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.056) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00868 USER MOD Single : A 51 TYR OH : rot 165:sc= -1.04 USER MOD Single : A 54 SER OG : rot -120:sc= 0.00549 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.5) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -59:sc= 0.68 USER MOD Single : A 66 THR OG1 : rot 140:sc= -1.01 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.13! C(o=-2.2!,f=-1.1!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 79:sc= 0.678 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -174:sc= -4.32! (180deg=-4.53!) USER MOD Single : A 95 THR OG1 : rot 140:sc= -1.17 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -3.56 K(o=-3.6,f=-9.7!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -141:sc= -0.473 USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.283 -0.641 -13.420 1.00 0.00 N ATOM 203 CA ASP A 16 17.129 0.013 -12.436 1.00 0.00 C ATOM 204 C ASP A 16 16.366 0.136 -11.116 1.00 0.00 C ATOM 205 O ASP A 16 16.885 -0.223 -10.060 1.00 0.00 O ATOM 206 CB ASP A 16 17.515 1.422 -12.892 1.00 0.00 C ATOM 207 CG ASP A 16 18.727 2.023 -12.178 1.00 0.00 C ATOM 208 OD1 ASP A 16 19.688 1.256 -11.948 1.00 0.00 O ATOM 209 OD2 ASP A 16 18.666 3.235 -11.878 1.00 0.00 O ATOM 0 HA ASP A 16 18.031 -0.587 -12.314 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.718 1.398 -13.963 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.661 2.082 -12.744 1.00 0.00 H new ATOM 214 N VAL A 17 15.147 0.645 -11.218 1.00 0.00 N ATOM 215 CA VAL A 17 14.308 0.820 -10.045 1.00 0.00 C ATOM 216 C VAL A 17 14.398 -0.431 -9.168 1.00 0.00 C ATOM 217 O VAL A 17 14.870 -1.475 -9.616 1.00 0.00 O ATOM 218 CB VAL A 17 12.876 1.150 -10.470 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.723 2.643 -10.767 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.452 0.305 -11.673 1.00 0.00 C ATOM 0 H VAL A 17 14.720 0.942 -12.096 1.00 0.00 H new ATOM 0 HA VAL A 17 14.658 1.662 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 17 12.215 0.904 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.696 2.851 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.964 3.218 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.400 2.925 -11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.430 0.560 -11.954 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.120 0.504 -12.511 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.504 -0.752 -11.412 1.00 0.00 H new ATOM 230 N PRO A 18 13.926 -0.281 -7.902 1.00 0.00 N ATOM 231 CA PRO A 18 13.948 -1.386 -6.958 1.00 0.00 C ATOM 232 C PRO A 18 12.854 -2.405 -7.282 1.00 0.00 C ATOM 233 O PRO A 18 12.082 -2.215 -8.220 1.00 0.00 O ATOM 234 CB PRO A 18 13.773 -0.741 -5.593 1.00 0.00 C ATOM 235 CG PRO A 18 13.196 0.641 -5.855 1.00 0.00 C ATOM 236 CD PRO A 18 13.360 0.941 -7.337 1.00 0.00 C ATOM 0 HA PRO A 18 14.877 -1.955 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.105 -1.331 -4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.726 -0.673 -5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.144 0.675 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.712 1.390 -5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.404 1.185 -7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.019 1.794 -7.498 1.00 0.00 H new ATOM 244 N GLY A 19 12.824 -3.465 -6.488 1.00 0.00 N ATOM 245 CA GLY A 19 11.838 -4.515 -6.678 1.00 0.00 C ATOM 246 C GLY A 19 10.663 -4.345 -5.714 1.00 0.00 C ATOM 247 O GLY A 19 10.388 -3.238 -5.254 1.00 0.00 O ATOM 0 H GLY A 19 13.467 -3.619 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.475 -4.496 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.303 -5.488 -6.522 1.00 0.00 H new ATOM 251 N PRO A 20 9.983 -5.488 -5.428 1.00 0.00 N ATOM 252 CA PRO A 20 8.843 -5.476 -4.527 1.00 0.00 C ATOM 253 C PRO A 20 9.297 -5.341 -3.072 1.00 0.00 C ATOM 254 O PRO A 20 10.159 -6.089 -2.615 1.00 0.00 O ATOM 255 CB PRO A 20 8.110 -6.778 -4.803 1.00 0.00 C ATOM 256 CG PRO A 20 9.111 -7.679 -5.507 1.00 0.00 C ATOM 257 CD PRO A 20 10.280 -6.817 -5.954 1.00 0.00 C ATOM 0 HA PRO A 20 8.185 -4.622 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.759 -7.233 -3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.232 -6.607 -5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.453 -8.467 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.648 -8.168 -6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.224 -7.196 -5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.369 -6.802 -7.040 1.00 0.00 H new ATOM 265 N VAL A 21 8.694 -4.382 -2.384 1.00 0.00 N ATOM 266 CA VAL A 21 9.025 -4.140 -0.991 1.00 0.00 C ATOM 267 C VAL A 21 8.869 -5.440 -0.200 1.00 0.00 C ATOM 268 O VAL A 21 8.648 -6.501 -0.782 1.00 0.00 O ATOM 269 CB VAL A 21 8.168 -2.998 -0.440 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.606 -1.653 -1.022 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.682 -3.252 -0.704 1.00 0.00 C ATOM 0 H VAL A 21 7.978 -3.764 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 21 10.064 -3.824 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 21 8.315 -2.959 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.981 -0.859 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.647 -1.465 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.502 -1.675 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.095 -2.426 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.511 -3.330 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.380 -4.181 -0.220 1.00 0.00 H new ATOM 281 N GLY A 22 8.990 -5.315 1.113 1.00 0.00 N ATOM 282 CA GLY A 22 8.865 -6.468 1.989 1.00 0.00 C ATOM 283 C GLY A 22 7.512 -7.157 1.799 1.00 0.00 C ATOM 284 O GLY A 22 6.877 -7.008 0.756 1.00 0.00 O ATOM 0 H GLY A 22 9.173 -4.433 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.669 -7.175 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.975 -6.154 3.027 1.00 0.00 H new ATOM 288 N HIS A 23 7.112 -7.897 2.822 1.00 0.00 N ATOM 289 CA HIS A 23 5.846 -8.610 2.781 1.00 0.00 C ATOM 290 C HIS A 23 4.733 -7.711 3.324 1.00 0.00 C ATOM 291 O HIS A 23 4.822 -7.217 4.447 1.00 0.00 O ATOM 292 CB HIS A 23 5.949 -9.943 3.524 1.00 0.00 C ATOM 293 CG HIS A 23 5.488 -9.881 4.961 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.446 -10.651 5.448 1.00 0.00 N ATOM 295 CD2 HIS A 23 5.940 -9.136 6.010 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.286 -10.373 6.733 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.212 -9.433 7.080 1.00 0.00 N ATOM 0 H HIS A 23 7.642 -8.019 3.685 1.00 0.00 H new ATOM 0 HA HIS A 23 5.595 -8.855 1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.357 -10.689 2.995 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.985 -10.282 3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.752 -8.425 5.976 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.551 -10.813 7.391 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.326 -9.026 8.008 1.00 0.00 H new ATOM 305 N LEU A 24 3.710 -7.527 2.502 1.00 0.00 N ATOM 306 CA LEU A 24 2.582 -6.698 2.887 1.00 0.00 C ATOM 307 C LEU A 24 2.012 -7.202 4.214 1.00 0.00 C ATOM 308 O LEU A 24 1.907 -8.408 4.430 1.00 0.00 O ATOM 309 CB LEU A 24 1.551 -6.639 1.758 1.00 0.00 C ATOM 310 CG LEU A 24 1.583 -5.382 0.885 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.804 -4.240 1.540 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.022 -4.980 0.555 1.00 0.00 C ATOM 0 H LEU A 24 3.639 -7.938 1.571 1.00 0.00 H new ATOM 0 HA LEU A 24 2.904 -5.669 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.695 -7.507 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.557 -6.728 2.196 1.00 0.00 H new ATOM 0 HG LEU A 24 1.088 -5.609 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.842 -3.359 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.234 -4.541 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.248 -4.005 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.016 -4.084 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.564 -4.778 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.512 -5.791 0.017 1.00 0.00 H new ATOM 324 N SER A 25 1.658 -6.253 5.068 1.00 0.00 N ATOM 325 CA SER A 25 1.101 -6.586 6.369 1.00 0.00 C ATOM 326 C SER A 25 -0.014 -5.602 6.728 1.00 0.00 C ATOM 327 O SER A 25 0.061 -4.423 6.388 1.00 0.00 O ATOM 328 CB SER A 25 2.184 -6.579 7.449 1.00 0.00 C ATOM 329 OG SER A 25 3.262 -7.455 7.131 1.00 0.00 O ATOM 0 H SER A 25 1.746 -5.253 4.885 1.00 0.00 H new ATOM 0 HA SER A 25 0.685 -7.592 6.316 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.565 -5.565 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.747 -6.874 8.403 1.00 0.00 H new ATOM 0 HG SER A 25 3.437 -8.048 7.891 1.00 0.00 H new ATOM 335 N PHE A 26 -1.022 -6.124 7.412 1.00 0.00 N ATOM 336 CA PHE A 26 -2.151 -5.306 7.821 1.00 0.00 C ATOM 337 C PHE A 26 -2.526 -5.579 9.279 1.00 0.00 C ATOM 338 O PHE A 26 -2.697 -6.732 9.675 1.00 0.00 O ATOM 339 CB PHE A 26 -3.329 -5.689 6.924 1.00 0.00 C ATOM 340 CG PHE A 26 -3.087 -5.432 5.435 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.448 -4.300 5.036 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.512 -6.335 4.511 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.223 -4.061 3.655 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.287 -6.096 3.130 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.647 -4.964 2.730 1.00 0.00 C ATOM 0 H PHE A 26 -1.080 -7.103 7.693 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.897 -4.250 7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.553 -6.746 7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.210 -5.130 7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.112 -3.583 5.770 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.020 -7.234 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.715 -3.162 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.624 -6.813 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.476 -4.782 1.679 1.00 0.00 H new ATOM 355 N SER A 27 -2.642 -4.500 10.039 1.00 0.00 N ATOM 356 CA SER A 27 -2.993 -4.609 11.445 1.00 0.00 C ATOM 357 C SER A 27 -4.037 -3.551 11.807 1.00 0.00 C ATOM 358 O SER A 27 -4.296 -2.637 11.026 1.00 0.00 O ATOM 359 CB SER A 27 -1.757 -4.462 12.335 1.00 0.00 C ATOM 360 OG SER A 27 -1.107 -5.710 12.556 1.00 0.00 O ATOM 0 H SER A 27 -2.499 -3.546 9.708 1.00 0.00 H new ATOM 0 HA SER A 27 -3.414 -5.600 11.616 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.058 -3.766 11.872 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.049 -4.031 13.293 1.00 0.00 H new ATOM 0 HG SER A 27 -0.322 -5.574 13.127 1.00 0.00 H new ATOM 366 N GLU A 28 -4.608 -3.710 12.992 1.00 0.00 N ATOM 367 CA GLU A 28 -5.618 -2.779 13.467 1.00 0.00 C ATOM 368 C GLU A 28 -6.585 -2.422 12.336 1.00 0.00 C ATOM 369 O GLU A 28 -6.829 -1.246 12.071 1.00 0.00 O ATOM 370 CB GLU A 28 -4.972 -1.522 14.053 1.00 0.00 C ATOM 371 CG GLU A 28 -4.153 -1.857 15.301 1.00 0.00 C ATOM 372 CD GLU A 28 -4.533 -0.944 16.468 1.00 0.00 C ATOM 373 OE1 GLU A 28 -3.914 0.137 16.568 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.434 -1.348 17.235 1.00 0.00 O ATOM 0 H GLU A 28 -4.391 -4.469 13.637 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.184 -3.262 14.263 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.329 -1.057 13.306 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.745 -0.796 14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.318 -2.898 15.580 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.090 -1.750 15.082 1.00 0.00 H new ATOM 381 N ILE A 29 -7.109 -3.460 11.699 1.00 0.00 N ATOM 382 CA ILE A 29 -8.043 -3.271 10.603 1.00 0.00 C ATOM 383 C ILE A 29 -9.431 -2.961 11.169 1.00 0.00 C ATOM 384 O ILE A 29 -9.776 -3.415 12.259 1.00 0.00 O ATOM 385 CB ILE A 29 -8.018 -4.477 9.663 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.581 -4.888 9.336 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.839 -4.206 8.401 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.496 -5.529 7.949 1.00 0.00 C ATOM 0 H ILE A 29 -6.904 -4.434 11.922 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.748 -2.416 9.995 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.484 -5.319 10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.931 -4.014 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.220 -5.590 10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.804 -5.079 7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.873 -4.000 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.425 -3.345 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.464 -5.812 7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.128 -6.416 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.835 -4.816 7.197 1.00 0.00 H new ATOM 400 N LEU A 30 -10.189 -2.190 10.404 1.00 0.00 N ATOM 401 CA LEU A 30 -11.531 -1.815 10.815 1.00 0.00 C ATOM 402 C LEU A 30 -12.517 -2.155 9.696 1.00 0.00 C ATOM 403 O LEU A 30 -12.461 -3.242 9.124 1.00 0.00 O ATOM 404 CB LEU A 30 -11.569 -0.346 11.243 1.00 0.00 C ATOM 405 CG LEU A 30 -10.528 0.077 12.282 1.00 0.00 C ATOM 406 CD1 LEU A 30 -10.259 1.581 12.207 1.00 0.00 C ATOM 407 CD2 LEU A 30 -10.946 -0.362 13.687 1.00 0.00 C ATOM 0 H LEU A 30 -9.899 -1.814 9.501 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.835 -2.387 11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.440 0.274 10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.560 -0.130 11.642 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.590 -0.429 12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.516 1.855 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.886 1.835 11.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.184 2.126 12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.189 -0.049 14.406 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.901 0.097 13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.046 -1.447 13.714 1.00 0.00 H new ATOM 419 N ASP A 31 -13.397 -1.204 9.417 1.00 0.00 N ATOM 420 CA ASP A 31 -14.394 -1.389 8.376 1.00 0.00 C ATOM 421 C ASP A 31 -14.070 -0.470 7.197 1.00 0.00 C ATOM 422 O ASP A 31 -14.474 -0.739 6.067 1.00 0.00 O ATOM 423 CB ASP A 31 -15.792 -1.033 8.884 1.00 0.00 C ATOM 424 CG ASP A 31 -16.064 0.465 9.033 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.233 1.130 9.690 1.00 0.00 O ATOM 426 OD2 ASP A 31 -17.096 0.912 8.488 1.00 0.00 O ATOM 0 H ASP A 31 -13.440 -0.303 9.894 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.376 -2.436 8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.529 -1.454 8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.944 -1.512 9.851 1.00 0.00 H new ATOM 431 N THR A 32 -13.345 0.596 7.501 1.00 0.00 N ATOM 432 CA THR A 32 -12.963 1.557 6.480 1.00 0.00 C ATOM 433 C THR A 32 -11.623 2.206 6.833 1.00 0.00 C ATOM 434 O THR A 32 -11.312 3.296 6.354 1.00 0.00 O ATOM 435 CB THR A 32 -14.104 2.564 6.327 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.297 3.073 7.644 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.437 1.892 5.989 1.00 0.00 C ATOM 0 H THR A 32 -13.012 0.816 8.440 1.00 0.00 H new ATOM 0 HA THR A 32 -12.809 1.070 5.517 1.00 0.00 H new ATOM 0 HB THR A 32 -13.851 3.282 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.019 3.735 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.213 2.651 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.342 1.347 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.707 1.198 6.785 1.00 0.00 H new ATOM 445 N SER A 33 -10.866 1.509 7.668 1.00 0.00 N ATOM 446 CA SER A 33 -9.567 2.004 8.091 1.00 0.00 C ATOM 447 C SER A 33 -8.693 0.841 8.564 1.00 0.00 C ATOM 448 O SER A 33 -9.121 0.033 9.387 1.00 0.00 O ATOM 449 CB SER A 33 -9.710 3.047 9.201 1.00 0.00 C ATOM 450 OG SER A 33 -10.877 2.831 9.990 1.00 0.00 O ATOM 0 H SER A 33 -11.127 0.606 8.063 1.00 0.00 H new ATOM 0 HA SER A 33 -9.089 2.485 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.829 3.018 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.750 4.043 8.760 1.00 0.00 H new ATOM 0 HG SER A 33 -11.019 3.599 10.582 1.00 0.00 H new ATOM 456 N LEU A 34 -7.484 0.793 8.024 1.00 0.00 N ATOM 457 CA LEU A 34 -6.546 -0.257 8.381 1.00 0.00 C ATOM 458 C LEU A 34 -5.117 0.256 8.193 1.00 0.00 C ATOM 459 O LEU A 34 -4.887 1.205 7.445 1.00 0.00 O ATOM 460 CB LEU A 34 -6.849 -1.535 7.596 1.00 0.00 C ATOM 461 CG LEU A 34 -6.489 -1.510 6.109 1.00 0.00 C ATOM 462 CD1 LEU A 34 -4.995 -1.763 5.902 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.352 -2.497 5.320 1.00 0.00 C ATOM 0 H LEU A 34 -7.133 1.465 7.342 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.654 -0.523 9.433 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.315 -2.361 8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.913 -1.751 7.688 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.703 -0.514 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.766 -1.740 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.421 -0.990 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.732 -2.739 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.076 -2.460 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.192 -3.506 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.403 -2.230 5.430 1.00 0.00 H new ATOM 475 N LYS A 35 -4.193 -0.395 8.885 1.00 0.00 N ATOM 476 CA LYS A 35 -2.792 -0.017 8.804 1.00 0.00 C ATOM 477 C LYS A 35 -2.074 -0.944 7.821 1.00 0.00 C ATOM 478 O LYS A 35 -2.346 -2.143 7.782 1.00 0.00 O ATOM 479 CB LYS A 35 -2.162 0.009 10.198 1.00 0.00 C ATOM 480 CG LYS A 35 -1.044 1.050 10.275 1.00 0.00 C ATOM 481 CD LYS A 35 0.304 0.438 9.890 1.00 0.00 C ATOM 482 CE LYS A 35 1.148 0.147 11.132 1.00 0.00 C ATOM 483 NZ LYS A 35 1.535 1.408 11.803 1.00 0.00 N ATOM 0 H LYS A 35 -4.387 -1.182 9.504 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.693 0.997 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.926 0.235 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.763 -0.976 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.272 1.883 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.988 1.455 11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.143 -0.484 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.842 1.120 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.585 -0.481 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.041 -0.410 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.442 1.276 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.632 2.163 11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.803 1.673 12.493 1.00 0.00 H new ATOM 497 N VAL A 36 -1.171 -0.354 7.052 1.00 0.00 N ATOM 498 CA VAL A 36 -0.412 -1.112 6.072 1.00 0.00 C ATOM 499 C VAL A 36 1.080 -1.006 6.396 1.00 0.00 C ATOM 500 O VAL A 36 1.610 0.094 6.544 1.00 0.00 O ATOM 501 CB VAL A 36 -0.753 -0.631 4.660 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.208 -1.229 3.631 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.206 -0.954 4.307 1.00 0.00 C ATOM 0 H VAL A 36 -0.948 0.641 7.088 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.680 -2.168 6.115 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.636 0.452 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.056 -0.871 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.228 -0.926 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.138 -2.316 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.422 -0.602 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.361 -2.032 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.871 -0.459 5.015 1.00 0.00 H new ATOM 513 N SER A 37 1.714 -2.164 6.496 1.00 0.00 N ATOM 514 CA SER A 37 3.135 -2.216 6.800 1.00 0.00 C ATOM 515 C SER A 37 3.872 -3.009 5.720 1.00 0.00 C ATOM 516 O SER A 37 3.270 -3.827 5.025 1.00 0.00 O ATOM 517 CB SER A 37 3.381 -2.836 8.176 1.00 0.00 C ATOM 518 OG SER A 37 2.287 -3.643 8.602 1.00 0.00 O ATOM 0 H SER A 37 1.271 -3.074 6.372 1.00 0.00 H new ATOM 0 HA SER A 37 3.519 -1.196 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.287 -3.441 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.552 -2.044 8.905 1.00 0.00 H new ATOM 0 HG SER A 37 2.484 -4.022 9.484 1.00 0.00 H new ATOM 524 N TRP A 38 5.165 -2.741 5.612 1.00 0.00 N ATOM 525 CA TRP A 38 5.991 -3.420 4.629 1.00 0.00 C ATOM 526 C TRP A 38 7.453 -3.275 5.057 1.00 0.00 C ATOM 527 O TRP A 38 7.752 -2.587 6.032 1.00 0.00 O ATOM 528 CB TRP A 38 5.724 -2.880 3.222 1.00 0.00 C ATOM 529 CG TRP A 38 6.032 -1.391 3.058 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.212 -0.817 2.785 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.092 -0.301 3.170 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.102 0.557 2.712 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.772 0.880 2.954 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.714 -0.314 3.444 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.156 2.137 2.989 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.112 0.950 3.477 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.782 2.149 3.261 1.00 0.00 C ATOM 0 H TRP A 38 5.661 -2.062 6.190 1.00 0.00 H new ATOM 0 HA TRP A 38 5.745 -4.481 4.586 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.323 -3.445 2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.678 -3.054 2.970 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.133 -1.361 2.640 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.857 1.214 2.517 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.163 -1.227 3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.710 3.048 2.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.053 0.997 3.685 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.245 3.085 3.303 1.00 0.00 H new ATOM 548 N GLN A 39 8.324 -3.935 4.309 1.00 0.00 N ATOM 549 CA GLN A 39 9.747 -3.888 4.599 1.00 0.00 C ATOM 550 C GLN A 39 10.524 -3.412 3.370 1.00 0.00 C ATOM 551 O GLN A 39 9.932 -3.114 2.334 1.00 0.00 O ATOM 552 CB GLN A 39 10.255 -5.251 5.074 1.00 0.00 C ATOM 553 CG GLN A 39 10.642 -5.206 6.554 1.00 0.00 C ATOM 554 CD GLN A 39 12.146 -4.977 6.720 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.950 -5.892 6.655 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.479 -3.708 6.938 1.00 0.00 N ATOM 0 H GLN A 39 8.072 -4.506 3.502 1.00 0.00 H new ATOM 0 HA GLN A 39 9.910 -3.174 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.483 -6.005 4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.117 -5.550 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.092 -4.409 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.357 -6.141 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.755 -2.991 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.458 -3.452 7.063 1.00 0.00 H new ATOM 565 N GLU A 40 11.839 -3.354 3.527 1.00 0.00 N ATOM 566 CA GLU A 40 12.703 -2.918 2.443 1.00 0.00 C ATOM 567 C GLU A 40 12.899 -4.051 1.433 1.00 0.00 C ATOM 568 O GLU A 40 13.026 -5.213 1.815 1.00 0.00 O ATOM 569 CB GLU A 40 14.047 -2.423 2.979 1.00 0.00 C ATOM 570 CG GLU A 40 14.192 -0.912 2.785 1.00 0.00 C ATOM 571 CD GLU A 40 15.314 -0.351 3.660 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.705 -1.066 4.608 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.756 0.779 3.362 1.00 0.00 O ATOM 0 H GLU A 40 12.327 -3.602 4.388 1.00 0.00 H new ATOM 0 HA GLU A 40 12.222 -2.083 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.132 -2.667 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.859 -2.939 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.400 -0.695 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.252 -0.418 3.032 1.00 0.00 H new ATOM 580 N PRO A 41 12.918 -3.662 0.130 1.00 0.00 N ATOM 581 CA PRO A 41 13.096 -4.631 -0.938 1.00 0.00 C ATOM 582 C PRO A 41 14.552 -5.095 -1.020 1.00 0.00 C ATOM 583 O PRO A 41 15.466 -4.347 -0.676 1.00 0.00 O ATOM 584 CB PRO A 41 12.628 -3.920 -2.197 1.00 0.00 C ATOM 585 CG PRO A 41 12.644 -2.436 -1.868 1.00 0.00 C ATOM 586 CD PRO A 41 12.770 -2.295 -0.360 1.00 0.00 C ATOM 0 HA PRO A 41 12.524 -5.544 -0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.286 -4.141 -3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.627 -4.246 -2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.477 -1.943 -2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.731 -1.957 -2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.630 -1.683 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.890 -1.814 0.067 1.00 0.00 H new ATOM 594 N GLY A 42 14.722 -6.327 -1.477 1.00 0.00 N ATOM 595 CA GLY A 42 16.051 -6.900 -1.608 1.00 0.00 C ATOM 596 C GLY A 42 16.805 -6.274 -2.783 1.00 0.00 C ATOM 597 O GLY A 42 18.027 -6.146 -2.744 1.00 0.00 O ATOM 0 H GLY A 42 13.961 -6.944 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.611 -6.742 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.974 -7.977 -1.754 1.00 0.00 H new ATOM 601 N GLU A 43 16.043 -5.900 -3.801 1.00 0.00 N ATOM 602 CA GLU A 43 16.623 -5.290 -4.986 1.00 0.00 C ATOM 603 C GLU A 43 16.748 -3.777 -4.797 1.00 0.00 C ATOM 604 O GLU A 43 16.412 -3.006 -5.694 1.00 0.00 O ATOM 605 CB GLU A 43 15.800 -5.621 -6.232 1.00 0.00 C ATOM 606 CG GLU A 43 16.348 -6.864 -6.937 1.00 0.00 C ATOM 607 CD GLU A 43 17.829 -6.692 -7.278 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.106 -5.958 -8.252 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.651 -7.298 -6.558 1.00 0.00 O ATOM 0 H GLU A 43 15.029 -6.008 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 43 17.622 -5.702 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.760 -5.786 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.815 -4.774 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.217 -7.737 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.780 -7.049 -7.849 1.00 0.00 H new ATOM 616 N LYS A 44 17.233 -3.397 -3.624 1.00 0.00 N ATOM 617 CA LYS A 44 17.406 -1.990 -3.306 1.00 0.00 C ATOM 618 C LYS A 44 17.969 -1.261 -4.528 1.00 0.00 C ATOM 619 O LYS A 44 17.660 -0.092 -4.754 1.00 0.00 O ATOM 620 CB LYS A 44 18.259 -1.827 -2.046 1.00 0.00 C ATOM 621 CG LYS A 44 17.489 -2.272 -0.801 1.00 0.00 C ATOM 622 CD LYS A 44 18.129 -1.711 0.470 1.00 0.00 C ATOM 623 CE LYS A 44 17.132 -1.705 1.630 1.00 0.00 C ATOM 624 NZ LYS A 44 17.626 -2.544 2.744 1.00 0.00 N ATOM 0 H LYS A 44 17.512 -4.039 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 44 16.445 -1.530 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.172 -2.414 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.560 -0.785 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.454 -1.936 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.468 -3.361 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.000 -2.310 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.484 -0.697 0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.976 -0.684 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.166 -2.076 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.128 -2.286 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.451 -3.546 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.647 -2.390 2.868 1.00 0.00 H new ATOM 638 N ASN A 45 18.785 -1.982 -5.283 1.00 0.00 N ATOM 639 CA ASN A 45 19.394 -1.418 -6.476 1.00 0.00 C ATOM 640 C ASN A 45 19.857 0.010 -6.181 1.00 0.00 C ATOM 641 O ASN A 45 19.916 0.846 -7.081 1.00 0.00 O ATOM 642 CB ASN A 45 18.392 -1.361 -7.631 1.00 0.00 C ATOM 643 CG ASN A 45 18.731 -2.400 -8.702 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.788 -2.381 -9.309 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.776 -3.305 -8.898 1.00 0.00 N ATOM 0 H ASN A 45 19.039 -2.951 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 45 20.234 -2.053 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.385 -1.538 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.396 -0.364 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.906 -4.041 -9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.914 -3.263 -8.354 1.00 0.00 H new ATOM 652 N GLY A 46 20.174 0.246 -4.916 1.00 0.00 N ATOM 653 CA GLY A 46 20.630 1.559 -4.491 1.00 0.00 C ATOM 654 C GLY A 46 20.012 1.945 -3.146 1.00 0.00 C ATOM 655 O GLY A 46 20.058 1.170 -2.192 1.00 0.00 O ATOM 0 H GLY A 46 20.124 -0.450 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.717 1.562 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.365 2.301 -5.244 1.00 0.00 H new ATOM 659 N ILE A 47 19.447 3.143 -3.113 1.00 0.00 N ATOM 660 CA ILE A 47 18.820 3.641 -1.900 1.00 0.00 C ATOM 661 C ILE A 47 17.431 4.188 -2.236 1.00 0.00 C ATOM 662 O ILE A 47 17.249 4.840 -3.263 1.00 0.00 O ATOM 663 CB ILE A 47 19.729 4.657 -1.206 1.00 0.00 C ATOM 664 CG1 ILE A 47 20.892 3.959 -0.498 1.00 0.00 C ATOM 665 CG2 ILE A 47 18.930 5.548 -0.253 1.00 0.00 C ATOM 666 CD1 ILE A 47 20.385 2.848 0.424 1.00 0.00 C ATOM 0 H ILE A 47 19.410 3.783 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 47 18.679 2.831 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 47 20.159 5.306 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.574 3.540 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.459 4.687 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.601 6.261 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.167 6.088 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.452 4.931 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.232 2.368 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.723 3.274 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.839 2.109 -0.163 1.00 0.00 H new ATOM 678 N LEU A 48 16.488 3.902 -1.352 1.00 0.00 N ATOM 679 CA LEU A 48 15.121 4.357 -1.542 1.00 0.00 C ATOM 680 C LEU A 48 14.971 5.764 -0.961 1.00 0.00 C ATOM 681 O LEU A 48 15.518 6.063 0.099 1.00 0.00 O ATOM 682 CB LEU A 48 14.133 3.343 -0.961 1.00 0.00 C ATOM 683 CG LEU A 48 14.486 1.868 -1.168 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.959 1.614 -2.601 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.511 1.399 -0.134 1.00 0.00 C ATOM 0 H LEU A 48 16.643 3.361 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 48 14.886 4.424 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.041 3.527 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.153 3.527 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 48 13.583 1.276 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.204 0.559 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.167 1.885 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.844 2.217 -2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.744 0.348 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.421 1.992 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.100 1.522 0.868 1.00 0.00 H new ATOM 697 N THR A 49 14.226 6.590 -1.680 1.00 0.00 N ATOM 698 CA THR A 49 13.997 7.959 -1.249 1.00 0.00 C ATOM 699 C THR A 49 12.561 8.128 -0.751 1.00 0.00 C ATOM 700 O THR A 49 12.159 9.223 -0.361 1.00 0.00 O ATOM 701 CB THR A 49 14.349 8.887 -2.414 1.00 0.00 C ATOM 702 OG1 THR A 49 13.535 8.421 -3.487 1.00 0.00 O ATOM 703 CG2 THR A 49 15.780 8.681 -2.915 1.00 0.00 C ATOM 0 H THR A 49 13.773 6.338 -2.558 1.00 0.00 H new ATOM 0 HA THR A 49 14.634 8.219 -0.403 1.00 0.00 H new ATOM 0 HB THR A 49 14.219 9.924 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.699 8.968 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.978 9.364 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.481 8.879 -2.105 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.901 7.653 -3.257 1.00 0.00 H new ATOM 711 N GLY A 50 11.825 7.026 -0.779 1.00 0.00 N ATOM 712 CA GLY A 50 10.442 7.038 -0.334 1.00 0.00 C ATOM 713 C GLY A 50 9.697 5.796 -0.827 1.00 0.00 C ATOM 714 O GLY A 50 10.286 4.929 -1.470 1.00 0.00 O ATOM 0 H GLY A 50 12.161 6.119 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.407 7.079 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.945 7.935 -0.703 1.00 0.00 H new ATOM 718 N TYR A 51 8.412 5.750 -0.507 1.00 0.00 N ATOM 719 CA TYR A 51 7.580 4.628 -0.909 1.00 0.00 C ATOM 720 C TYR A 51 6.209 5.107 -1.389 1.00 0.00 C ATOM 721 O TYR A 51 5.576 5.940 -0.741 1.00 0.00 O ATOM 722 CB TYR A 51 7.397 3.769 0.344 1.00 0.00 C ATOM 723 CG TYR A 51 8.693 3.147 0.867 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.233 2.044 0.238 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.323 3.690 1.969 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.453 1.459 0.730 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.543 3.105 2.461 1.00 0.00 C ATOM 728 CZ TYR A 51 11.048 2.019 1.818 1.00 0.00 C ATOM 729 OH TYR A 51 12.200 1.466 2.283 1.00 0.00 O ATOM 0 H TYR A 51 7.927 6.472 0.026 1.00 0.00 H new ATOM 0 HA TYR A 51 8.045 4.079 -1.728 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.957 4.382 1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.686 2.972 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.740 1.619 -0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.901 4.553 2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.886 0.596 0.247 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.046 3.520 3.322 1.00 0.00 H new ATOM 0 HH TYR A 51 12.638 2.091 2.898 1.00 0.00 H new ATOM 739 N ARG A 52 5.790 4.561 -2.521 1.00 0.00 N ATOM 740 CA ARG A 52 4.505 4.922 -3.096 1.00 0.00 C ATOM 741 C ARG A 52 3.457 3.857 -2.765 1.00 0.00 C ATOM 742 O ARG A 52 3.524 2.738 -3.270 1.00 0.00 O ATOM 743 CB ARG A 52 4.605 5.075 -4.615 1.00 0.00 C ATOM 744 CG ARG A 52 3.577 6.083 -5.133 1.00 0.00 C ATOM 745 CD ARG A 52 3.106 5.711 -6.540 1.00 0.00 C ATOM 746 NE ARG A 52 4.096 6.166 -7.542 1.00 0.00 N ATOM 747 CZ ARG A 52 3.991 5.939 -8.859 1.00 0.00 C ATOM 748 NH1 ARG A 52 2.939 5.263 -9.340 1.00 0.00 N ATOM 749 NH2 ARG A 52 4.938 6.389 -9.694 1.00 0.00 N ATOM 0 H ARG A 52 6.318 3.871 -3.056 1.00 0.00 H new ATOM 0 HA ARG A 52 4.205 5.877 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.609 5.402 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.445 4.109 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.723 6.117 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.015 7.081 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.971 4.632 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.137 6.168 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 52 4.909 6.685 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.218 4.921 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.859 5.090 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.738 6.904 -9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.858 6.216 -10.696 1.00 0.00 H new ATOM 763 N ILE A 53 2.514 4.244 -1.919 1.00 0.00 N ATOM 764 CA ILE A 53 1.453 3.337 -1.515 1.00 0.00 C ATOM 765 C ILE A 53 0.161 3.714 -2.241 1.00 0.00 C ATOM 766 O ILE A 53 -0.078 4.887 -2.521 1.00 0.00 O ATOM 767 CB ILE A 53 1.319 3.315 0.009 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.166 2.408 0.444 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.176 4.732 0.567 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.078 2.327 1.970 1.00 0.00 C ATOM 0 H ILE A 53 2.462 5.173 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 53 1.695 2.315 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 53 2.234 2.896 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.773 2.789 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.308 1.409 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.082 4.688 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.056 5.318 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.287 5.201 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.750 1.676 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.009 1.923 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.088 3.324 2.378 1.00 0.00 H new ATOM 782 N SER A 54 -0.639 2.697 -2.526 1.00 0.00 N ATOM 783 CA SER A 54 -1.901 2.907 -3.214 1.00 0.00 C ATOM 784 C SER A 54 -2.893 1.805 -2.836 1.00 0.00 C ATOM 785 O SER A 54 -2.659 0.631 -3.118 1.00 0.00 O ATOM 786 CB SER A 54 -1.702 2.944 -4.730 1.00 0.00 C ATOM 787 OG SER A 54 -0.478 2.330 -5.123 1.00 0.00 O ATOM 0 H SER A 54 -0.437 1.725 -2.293 1.00 0.00 H new ATOM 0 HA SER A 54 -2.303 3.871 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.535 2.437 -5.217 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.715 3.979 -5.072 1.00 0.00 H new ATOM 0 HG SER A 54 0.081 2.985 -5.591 1.00 0.00 H new ATOM 793 N TRP A 55 -3.980 2.223 -2.204 1.00 0.00 N ATOM 794 CA TRP A 55 -5.008 1.286 -1.784 1.00 0.00 C ATOM 795 C TRP A 55 -6.184 1.409 -2.755 1.00 0.00 C ATOM 796 O TRP A 55 -6.729 2.495 -2.942 1.00 0.00 O ATOM 797 CB TRP A 55 -5.409 1.528 -0.327 1.00 0.00 C ATOM 798 CG TRP A 55 -6.002 2.913 -0.067 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.198 3.384 -0.448 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.375 3.996 0.653 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.386 4.686 -0.028 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.242 5.069 0.662 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.116 4.066 1.275 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.945 6.290 1.280 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.834 5.293 1.887 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.696 6.383 1.906 1.00 0.00 C ATOM 0 H TRP A 55 -4.171 3.198 -1.973 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.634 0.263 -1.817 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.136 0.771 -0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.533 1.394 0.307 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.923 2.817 -1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.212 5.261 -0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.422 3.239 1.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.642 7.115 1.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.879 5.400 2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.404 7.297 2.401 1.00 0.00 H new ATOM 817 N GLU A 56 -6.541 0.279 -3.348 1.00 0.00 N ATOM 818 CA GLU A 56 -7.642 0.246 -4.295 1.00 0.00 C ATOM 819 C GLU A 56 -8.489 -1.010 -4.081 1.00 0.00 C ATOM 820 O GLU A 56 -7.953 -2.092 -3.846 1.00 0.00 O ATOM 821 CB GLU A 56 -7.129 0.322 -5.735 1.00 0.00 C ATOM 822 CG GLU A 56 -6.488 -1.000 -6.160 1.00 0.00 C ATOM 823 CD GLU A 56 -5.448 -0.777 -7.260 1.00 0.00 C ATOM 824 OE1 GLU A 56 -4.585 0.103 -7.054 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.541 -1.491 -8.281 1.00 0.00 O ATOM 0 H GLU A 56 -6.087 -0.621 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.271 1.119 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.954 0.563 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.401 1.128 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.016 -1.473 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.258 -1.684 -6.516 1.00 0.00 H new ATOM 832 N GLU A 57 -9.798 -0.825 -4.170 1.00 0.00 N ATOM 833 CA GLU A 57 -10.725 -1.929 -3.989 1.00 0.00 C ATOM 834 C GLU A 57 -10.277 -3.138 -4.813 1.00 0.00 C ATOM 835 O GLU A 57 -9.312 -3.054 -5.571 1.00 0.00 O ATOM 836 CB GLU A 57 -12.151 -1.514 -4.355 1.00 0.00 C ATOM 837 CG GLU A 57 -12.989 -1.265 -3.099 1.00 0.00 C ATOM 838 CD GLU A 57 -14.466 -1.572 -3.355 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.776 -2.772 -3.520 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.251 -0.601 -3.381 1.00 0.00 O ATOM 0 H GLU A 57 -10.239 0.074 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.723 -2.210 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.126 -0.611 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.617 -2.293 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.621 -1.887 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.879 -0.227 -2.784 1.00 0.00 H new ATOM 847 N TYR A 58 -11.000 -4.235 -4.637 1.00 0.00 N ATOM 848 CA TYR A 58 -10.689 -5.459 -5.356 1.00 0.00 C ATOM 849 C TYR A 58 -10.630 -5.210 -6.864 1.00 0.00 C ATOM 850 O TYR A 58 -9.584 -5.391 -7.486 1.00 0.00 O ATOM 851 CB TYR A 58 -11.836 -6.426 -5.055 1.00 0.00 C ATOM 852 CG TYR A 58 -11.811 -7.702 -5.900 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.789 -8.615 -5.741 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.811 -7.939 -6.821 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.765 -9.815 -6.536 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.788 -9.140 -7.616 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.766 -10.018 -7.434 1.00 0.00 C ATOM 858 OH TYR A 58 -11.744 -11.152 -8.185 1.00 0.00 O ATOM 0 H TYR A 58 -11.800 -4.301 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.719 -5.850 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.800 -6.700 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.783 -5.912 -5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.007 -8.429 -5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.611 -7.224 -6.946 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.970 -10.537 -6.422 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.565 -9.338 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.521 -11.164 -8.782 1.00 0.00 H new ATOM 868 N ASN A 59 -11.765 -4.798 -7.409 1.00 0.00 N ATOM 869 CA ASN A 59 -11.855 -4.522 -8.832 1.00 0.00 C ATOM 870 C ASN A 59 -12.530 -3.164 -9.043 1.00 0.00 C ATOM 871 O ASN A 59 -13.594 -3.084 -9.654 1.00 0.00 O ATOM 872 CB ASN A 59 -12.695 -5.583 -9.547 1.00 0.00 C ATOM 873 CG ASN A 59 -12.244 -5.752 -10.999 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.423 -5.010 -11.512 1.00 0.00 O ATOM 875 ND2 ASN A 59 -12.825 -6.768 -11.630 1.00 0.00 N ATOM 0 H ASN A 59 -12.630 -4.649 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.844 -4.526 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.609 -6.535 -9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.747 -5.298 -9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.591 -6.965 -12.603 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.505 -7.351 -11.141 1.00 0.00 H new ATOM 882 N ARG A 60 -11.882 -2.131 -8.524 1.00 0.00 N ATOM 883 CA ARG A 60 -12.406 -0.782 -8.648 1.00 0.00 C ATOM 884 C ARG A 60 -11.277 0.241 -8.502 1.00 0.00 C ATOM 885 O ARG A 60 -10.795 0.486 -7.397 1.00 0.00 O ATOM 886 CB ARG A 60 -13.474 -0.506 -7.588 1.00 0.00 C ATOM 887 CG ARG A 60 -14.455 -1.676 -7.480 1.00 0.00 C ATOM 888 CD ARG A 60 -15.536 -1.391 -6.436 1.00 0.00 C ATOM 889 NE ARG A 60 -16.868 -1.366 -7.081 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.495 -2.452 -7.552 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.916 -3.656 -7.454 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.702 -2.334 -8.122 1.00 0.00 N ATOM 0 H ARG A 60 -11.000 -2.201 -8.017 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.858 -0.692 -9.636 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.998 -0.336 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.016 0.405 -7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.919 -1.856 -8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.915 -2.584 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.513 -2.155 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.340 -0.436 -5.949 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.338 -0.465 -7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.997 -3.746 -7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.394 -4.483 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -19.143 -1.417 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.180 -3.161 -8.481 1.00 0.00 H new ATOM 906 N THR A 61 -10.889 0.811 -9.633 1.00 0.00 N ATOM 907 CA THR A 61 -9.826 1.802 -9.645 1.00 0.00 C ATOM 908 C THR A 61 -10.349 3.151 -9.149 1.00 0.00 C ATOM 909 O THR A 61 -9.578 3.982 -8.670 1.00 0.00 O ATOM 910 CB THR A 61 -9.248 1.858 -11.061 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.727 0.549 -11.275 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.022 2.768 -11.157 1.00 0.00 C ATOM 0 H THR A 61 -11.291 0.606 -10.548 1.00 0.00 H new ATOM 0 HA THR A 61 -9.023 1.529 -8.961 1.00 0.00 H new ATOM 0 HB THR A 61 -10.014 2.208 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.334 0.496 -12.171 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.651 2.772 -12.182 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.298 3.782 -10.867 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.242 2.399 -10.491 1.00 0.00 H new ATOM 920 N ASN A 62 -11.655 3.328 -9.279 1.00 0.00 N ATOM 921 CA ASN A 62 -12.290 4.562 -8.849 1.00 0.00 C ATOM 922 C ASN A 62 -11.967 4.810 -7.374 1.00 0.00 C ATOM 923 O ASN A 62 -12.060 5.939 -6.896 1.00 0.00 O ATOM 924 CB ASN A 62 -13.811 4.478 -8.992 1.00 0.00 C ATOM 925 CG ASN A 62 -14.425 5.870 -9.150 1.00 0.00 C ATOM 926 OD1 ASN A 62 -14.461 6.442 -10.227 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.904 6.382 -8.020 1.00 0.00 N ATOM 0 H ASN A 62 -12.291 2.637 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.913 5.371 -9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.065 3.864 -9.856 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.235 3.987 -8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.334 7.307 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.842 5.850 -7.152 1.00 0.00 H new ATOM 934 N THR A 63 -11.594 3.735 -6.694 1.00 0.00 N ATOM 935 CA THR A 63 -11.257 3.822 -5.283 1.00 0.00 C ATOM 936 C THR A 63 -9.746 3.684 -5.087 1.00 0.00 C ATOM 937 O THR A 63 -9.295 3.039 -4.141 1.00 0.00 O ATOM 938 CB THR A 63 -12.066 2.760 -4.537 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.321 1.560 -4.726 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.412 2.472 -5.206 1.00 0.00 C ATOM 0 H THR A 63 -11.518 2.800 -7.094 1.00 0.00 H new ATOM 0 HA THR A 63 -11.519 4.797 -4.873 1.00 0.00 H new ATOM 0 HB THR A 63 -12.233 3.086 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.240 1.373 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.946 1.711 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.006 3.386 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.244 2.114 -6.222 1.00 0.00 H new ATOM 948 N ARG A 64 -9.004 4.301 -5.996 1.00 0.00 N ATOM 949 CA ARG A 64 -7.553 4.255 -5.935 1.00 0.00 C ATOM 950 C ARG A 64 -7.005 5.560 -5.353 1.00 0.00 C ATOM 951 O ARG A 64 -7.583 6.626 -5.559 1.00 0.00 O ATOM 952 CB ARG A 64 -6.950 4.029 -7.322 1.00 0.00 C ATOM 953 CG ARG A 64 -5.559 3.401 -7.220 1.00 0.00 C ATOM 954 CD ARG A 64 -4.474 4.405 -7.617 1.00 0.00 C ATOM 955 NE ARG A 64 -3.140 3.770 -7.525 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.018 4.306 -8.024 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.061 5.489 -8.652 1.00 0.00 N ATOM 958 NH2 ARG A 64 -0.851 3.659 -7.894 1.00 0.00 N ATOM 0 H ARG A 64 -9.381 4.835 -6.779 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.274 3.421 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.604 3.380 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.886 4.978 -7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.385 3.057 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.503 2.525 -7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.648 4.759 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.517 5.277 -6.964 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.071 2.869 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.948 5.982 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.206 5.896 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.817 2.759 -7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.003 4.067 -8.274 1.00 0.00 H new ATOM 972 N VAL A 65 -5.896 5.432 -4.639 1.00 0.00 N ATOM 973 CA VAL A 65 -5.264 6.588 -4.027 1.00 0.00 C ATOM 974 C VAL A 65 -3.757 6.536 -4.287 1.00 0.00 C ATOM 975 O VAL A 65 -3.193 5.461 -4.483 1.00 0.00 O ATOM 976 CB VAL A 65 -5.612 6.648 -2.539 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.894 5.542 -1.763 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.289 8.025 -1.955 1.00 0.00 C ATOM 0 H VAL A 65 -5.419 4.546 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.640 7.509 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.685 6.485 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.159 5.607 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.195 4.570 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.816 5.660 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.546 8.040 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.225 8.230 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.866 8.787 -2.479 1.00 0.00 H new ATOM 988 N THR A 66 -3.147 7.713 -4.280 1.00 0.00 N ATOM 989 CA THR A 66 -1.716 7.815 -4.513 1.00 0.00 C ATOM 990 C THR A 66 -1.061 8.678 -3.433 1.00 0.00 C ATOM 991 O THR A 66 -1.196 9.900 -3.443 1.00 0.00 O ATOM 992 CB THR A 66 -1.505 8.351 -5.930 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.054 7.339 -6.770 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.027 8.400 -6.323 1.00 0.00 C ATOM 0 H THR A 66 -3.617 8.603 -4.117 1.00 0.00 H new ATOM 0 HA THR A 66 -1.233 6.840 -4.444 1.00 0.00 H new ATOM 0 HB THR A 66 -1.935 9.350 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.541 7.757 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.067 8.788 -7.337 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.511 9.051 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.395 7.396 -6.278 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.364 8.007 -2.527 1.00 0.00 N ATOM 1003 CA HIS A 67 0.313 8.698 -1.442 1.00 0.00 C ATOM 1004 C HIS A 67 1.822 8.473 -1.553 1.00 0.00 C ATOM 1005 O HIS A 67 2.269 7.584 -2.276 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.252 8.266 -0.087 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.584 8.893 0.251 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.603 8.449 1.041 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.982 10.122 -0.247 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.571 9.358 1.027 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -3.188 10.395 0.228 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.254 6.993 -2.522 1.00 0.00 H new ATOM 0 HA HIS A 67 0.133 9.770 -1.521 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.360 7.181 -0.079 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.466 8.521 0.692 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.619 7.568 1.555 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.407 10.751 -0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.507 9.288 1.560 1.00 0.00 H new ATOM 1019 N TYR A 68 2.565 9.295 -0.827 1.00 0.00 N ATOM 1020 CA TYR A 68 4.015 9.197 -0.835 1.00 0.00 C ATOM 1021 C TYR A 68 4.574 9.212 0.590 1.00 0.00 C ATOM 1022 O TYR A 68 4.078 9.943 1.447 1.00 0.00 O ATOM 1023 CB TYR A 68 4.517 10.435 -1.580 1.00 0.00 C ATOM 1024 CG TYR A 68 4.335 10.364 -3.098 1.00 0.00 C ATOM 1025 CD1 TYR A 68 5.019 9.416 -3.831 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.487 11.249 -3.733 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.847 9.350 -5.259 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.315 11.182 -5.161 1.00 0.00 C ATOM 1029 CZ TYR A 68 4.004 10.236 -5.854 1.00 0.00 C ATOM 1030 OH TYR A 68 3.842 10.173 -7.203 1.00 0.00 O ATOM 0 H TYR A 68 2.190 10.032 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 68 4.334 8.267 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.992 11.312 -1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.575 10.577 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.683 8.724 -3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.953 11.991 -3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.376 8.613 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.654 11.867 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 68 3.210 10.865 -7.489 1.00 0.00 H new ATOM 1040 N LEU A 69 5.598 8.398 0.798 1.00 0.00 N ATOM 1041 CA LEU A 69 6.229 8.309 2.104 1.00 0.00 C ATOM 1042 C LEU A 69 7.749 8.363 1.936 1.00 0.00 C ATOM 1043 O LEU A 69 8.267 8.102 0.851 1.00 0.00 O ATOM 1044 CB LEU A 69 5.737 7.069 2.853 1.00 0.00 C ATOM 1045 CG LEU A 69 4.226 6.830 2.835 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.896 5.380 3.196 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.502 7.826 3.743 1.00 0.00 C ATOM 0 H LEU A 69 6.007 7.794 0.085 1.00 0.00 H new ATOM 0 HA LEU A 69 5.946 9.160 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.228 6.194 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.061 7.144 3.891 1.00 0.00 H new ATOM 0 HG LEU A 69 3.866 6.999 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.816 5.237 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.364 4.710 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.273 5.159 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.430 7.634 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.861 7.713 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.699 8.841 3.399 1.00 0.00 H new ATOM 1059 N PRO A 70 8.439 8.713 3.054 1.00 0.00 N ATOM 1060 CA PRO A 70 9.889 8.805 3.041 1.00 0.00 C ATOM 1061 C PRO A 70 10.526 7.414 3.041 1.00 0.00 C ATOM 1062 O PRO A 70 9.830 6.408 3.174 1.00 0.00 O ATOM 1063 CB PRO A 70 10.243 9.620 4.274 1.00 0.00 C ATOM 1064 CG PRO A 70 9.023 9.559 5.178 1.00 0.00 C ATOM 1065 CD PRO A 70 7.859 9.029 4.356 1.00 0.00 C ATOM 0 HA PRO A 70 10.272 9.284 2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.121 9.210 4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.480 10.650 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.213 8.910 6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.792 10.548 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.418 8.146 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.066 9.772 4.267 1.00 0.00 H new ATOM 1073 N ASN A 71 11.842 7.401 2.891 1.00 0.00 N ATOM 1074 CA ASN A 71 12.582 6.150 2.872 1.00 0.00 C ATOM 1075 C ASN A 71 12.879 5.717 4.308 1.00 0.00 C ATOM 1076 O ASN A 71 13.801 4.938 4.548 1.00 0.00 O ATOM 1077 CB ASN A 71 13.916 6.310 2.140 1.00 0.00 C ATOM 1078 CG ASN A 71 14.911 7.110 2.982 1.00 0.00 C ATOM 1079 OD1 ASN A 71 15.211 8.303 2.477 1.00 0.00 O flip ATOM 1080 ND2 ASN A 71 15.376 6.673 4.022 1.00 0.00 N flip ATOM 0 H ASN A 71 12.416 8.237 2.781 1.00 0.00 H new ATOM 0 HA ASN A 71 11.975 5.407 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.332 5.328 1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.754 6.813 1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.103 5.748 4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.038 7.233 4.560 1.00 0.00 H new ATOM 1087 N VAL A 72 12.081 6.240 5.228 1.00 0.00 N ATOM 1088 CA VAL A 72 12.248 5.917 6.635 1.00 0.00 C ATOM 1089 C VAL A 72 10.997 5.195 7.139 1.00 0.00 C ATOM 1090 O VAL A 72 11.055 4.460 8.124 1.00 0.00 O ATOM 1091 CB VAL A 72 12.567 7.185 7.429 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.694 7.979 6.764 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.318 8.051 7.605 1.00 0.00 C ATOM 0 H VAL A 72 11.317 6.885 5.026 1.00 0.00 H new ATOM 0 HA VAL A 72 13.092 5.242 6.775 1.00 0.00 H new ATOM 0 HB VAL A 72 12.908 6.883 8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.901 8.876 7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.592 7.363 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.392 8.264 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.573 8.946 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.934 8.339 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.556 7.486 8.141 1.00 0.00 H new ATOM 1103 N THR A 73 9.895 5.430 6.442 1.00 0.00 N ATOM 1104 CA THR A 73 8.632 4.811 6.807 1.00 0.00 C ATOM 1105 C THR A 73 8.320 3.643 5.870 1.00 0.00 C ATOM 1106 O THR A 73 8.623 3.700 4.679 1.00 0.00 O ATOM 1107 CB THR A 73 7.555 5.898 6.803 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.762 6.597 8.027 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.143 5.323 6.937 1.00 0.00 C ATOM 0 H THR A 73 9.851 6.041 5.626 1.00 0.00 H new ATOM 0 HA THR A 73 8.677 4.381 7.807 1.00 0.00 H new ATOM 0 HB THR A 73 7.626 6.476 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.106 7.321 8.105 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.417 6.136 6.929 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.944 4.650 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.062 4.773 7.875 1.00 0.00 H new ATOM 1117 N LEU A 74 7.719 2.611 6.443 1.00 0.00 N ATOM 1118 CA LEU A 74 7.363 1.431 5.673 1.00 0.00 C ATOM 1119 C LEU A 74 5.944 0.994 6.045 1.00 0.00 C ATOM 1120 O LEU A 74 5.503 -0.088 5.660 1.00 0.00 O ATOM 1121 CB LEU A 74 8.412 0.333 5.859 1.00 0.00 C ATOM 1122 CG LEU A 74 9.865 0.803 5.952 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.652 -0.043 6.954 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.526 0.820 4.572 1.00 0.00 C ATOM 0 H LEU A 74 7.470 2.567 7.431 1.00 0.00 H new ATOM 0 HA LEU A 74 7.359 1.659 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.172 -0.222 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.329 -0.366 5.026 1.00 0.00 H new ATOM 0 HG LEU A 74 9.869 1.828 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.681 0.312 7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.194 0.041 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.642 -1.086 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.558 1.158 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.510 -0.184 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.981 1.499 3.916 1.00 0.00 H new ATOM 1136 N GLU A 75 5.269 1.858 6.789 1.00 0.00 N ATOM 1137 CA GLU A 75 3.909 1.575 7.217 1.00 0.00 C ATOM 1138 C GLU A 75 3.062 2.848 7.167 1.00 0.00 C ATOM 1139 O GLU A 75 3.581 3.950 7.332 1.00 0.00 O ATOM 1140 CB GLU A 75 3.892 0.959 8.617 1.00 0.00 C ATOM 1141 CG GLU A 75 4.453 1.936 9.652 1.00 0.00 C ATOM 1142 CD GLU A 75 5.931 1.655 9.928 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.757 2.096 9.100 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.202 1.004 10.961 1.00 0.00 O ATOM 0 H GLU A 75 5.638 2.754 7.106 1.00 0.00 H new ATOM 0 HA GLU A 75 3.476 0.847 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.872 0.685 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.480 0.041 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.335 2.959 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.885 1.855 10.579 1.00 0.00 H new ATOM 1151 N TYR A 76 1.771 2.652 6.938 1.00 0.00 N ATOM 1152 CA TYR A 76 0.847 3.771 6.864 1.00 0.00 C ATOM 1153 C TYR A 76 -0.589 3.314 7.132 1.00 0.00 C ATOM 1154 O TYR A 76 -0.931 2.158 6.890 1.00 0.00 O ATOM 1155 CB TYR A 76 0.941 4.302 5.432 1.00 0.00 C ATOM 1156 CG TYR A 76 0.024 5.494 5.149 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.279 5.282 4.748 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.501 6.781 5.295 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.142 6.404 4.482 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.362 7.903 5.029 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.641 7.659 4.635 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.456 8.718 4.384 1.00 0.00 O ATOM 0 H TYR A 76 1.344 1.736 6.801 1.00 0.00 H new ATOM 0 HA TYR A 76 1.099 4.527 7.608 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.972 4.594 5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.697 3.496 4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.652 4.275 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.521 6.947 5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.164 6.252 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.002 8.915 5.140 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.533 8.850 3.416 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.389 4.246 7.628 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.780 3.953 7.932 1.00 0.00 C ATOM 1174 C ARG A 77 -3.675 4.349 6.756 1.00 0.00 C ATOM 1175 O ARG A 77 -3.627 5.487 6.290 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.238 4.700 9.186 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.754 4.591 9.366 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.104 4.013 10.738 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.467 4.433 11.132 1.00 0.00 N ATOM 1180 CZ ARG A 77 -6.750 5.592 11.741 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -5.766 6.454 12.031 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -8.017 5.890 12.061 1.00 0.00 N ATOM 0 H ARG A 77 -1.101 5.204 7.827 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.862 2.881 8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.734 4.291 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.951 5.749 9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.208 5.576 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.172 3.958 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.044 2.925 10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.381 4.353 11.480 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.240 3.800 10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.802 6.228 11.788 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.981 7.337 12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.766 5.234 11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.232 6.773 12.525 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.470 3.388 6.309 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.374 3.622 5.196 1.00 0.00 C ATOM 1198 C VAL A 78 -6.770 3.940 5.737 1.00 0.00 C ATOM 1199 O VAL A 78 -7.195 3.372 6.741 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.360 2.421 4.249 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.288 2.653 3.055 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -3.937 2.107 3.784 1.00 0.00 C ATOM 0 H VAL A 78 -4.507 2.446 6.698 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.047 4.483 4.613 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.732 1.556 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.259 1.784 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.307 2.805 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.960 3.535 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.955 1.249 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.527 2.970 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.314 1.878 4.649 1.00 0.00 H new ATOM 1212 N THR A 79 -7.444 4.848 5.046 1.00 0.00 N ATOM 1213 CA THR A 79 -8.783 5.249 5.445 1.00 0.00 C ATOM 1214 C THR A 79 -9.594 5.687 4.223 1.00 0.00 C ATOM 1215 O THR A 79 -9.041 6.234 3.270 1.00 0.00 O ATOM 1216 CB THR A 79 -8.653 6.338 6.511 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.918 7.373 5.862 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.754 5.915 7.674 1.00 0.00 C ATOM 0 H THR A 79 -7.088 5.317 4.213 1.00 0.00 H new ATOM 0 HA THR A 79 -9.333 4.414 5.879 1.00 0.00 H new ATOM 0 HB THR A 79 -9.642 6.593 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.789 8.121 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.696 6.724 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.169 5.027 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.755 5.692 7.299 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.892 5.430 4.292 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.785 5.792 3.204 1.00 0.00 C ATOM 1228 C GLY A 80 -12.167 4.562 2.377 1.00 0.00 C ATOM 1229 O GLY A 80 -12.554 4.687 1.216 1.00 0.00 O ATOM 0 H GLY A 80 -11.347 4.976 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.684 6.258 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.303 6.530 2.563 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.045 3.404 3.007 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.373 2.153 2.344 1.00 0.00 C ATOM 1235 C LEU A 81 -13.876 1.897 2.462 1.00 0.00 C ATOM 1236 O LEU A 81 -14.674 2.832 2.415 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.510 1.014 2.892 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.065 1.375 3.242 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.484 0.389 4.257 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.204 1.474 1.982 1.00 0.00 C ATOM 0 H LEU A 81 -11.723 3.305 3.970 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.142 2.214 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.991 0.618 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.495 0.210 2.156 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.063 2.359 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.456 0.668 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.080 0.412 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.501 -0.617 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.182 1.732 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.208 0.516 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.607 2.245 1.325 1.00 0.00 H new ATOM 1252 N THR A 82 -14.218 0.626 2.613 1.00 0.00 N ATOM 1253 CA THR A 82 -15.612 0.235 2.738 1.00 0.00 C ATOM 1254 C THR A 82 -15.750 -0.950 3.695 1.00 0.00 C ATOM 1255 O THR A 82 -14.907 -1.846 3.705 1.00 0.00 O ATOM 1256 CB THR A 82 -16.150 -0.051 1.334 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.703 1.057 0.558 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.676 0.036 1.263 1.00 0.00 C ATOM 0 H THR A 82 -13.553 -0.147 2.652 1.00 0.00 H new ATOM 0 HA THR A 82 -16.210 1.035 3.174 1.00 0.00 H new ATOM 0 HB THR A 82 -15.828 -1.043 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.954 0.778 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.006 -0.175 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 82 -18.114 -0.693 1.945 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.997 1.038 1.548 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.820 -0.916 4.477 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.079 -1.977 5.436 1.00 0.00 C ATOM 1268 C ALA A 83 -17.233 -3.305 4.692 1.00 0.00 C ATOM 1269 O ALA A 83 -17.864 -3.360 3.637 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.317 -1.625 6.263 1.00 0.00 C ATOM 0 H ALA A 83 -17.517 -0.171 4.466 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.243 -2.082 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.512 -2.420 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.145 -0.689 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.177 -1.515 5.602 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.646 -4.342 5.271 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.710 -5.666 4.676 1.00 0.00 C ATOM 1278 C LEU A 84 -16.526 -5.550 3.161 1.00 0.00 C ATOM 1279 O LEU A 84 -17.412 -5.924 2.394 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.002 -6.376 5.085 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.245 -6.512 6.590 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.433 -7.433 6.872 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.977 -6.976 7.309 1.00 0.00 C ATOM 0 H LEU A 84 -16.124 -4.292 6.146 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.898 -6.290 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.843 -5.837 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.000 -7.374 4.646 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.499 -5.529 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.584 -7.513 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.330 -7.022 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.233 -8.422 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.176 -7.065 8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.669 -7.945 6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.181 -6.249 7.148 1.00 0.00 H new ATOM 1295 N THR A 85 -15.370 -5.029 2.776 1.00 0.00 N ATOM 1296 CA THR A 85 -15.058 -4.859 1.367 1.00 0.00 C ATOM 1297 C THR A 85 -13.612 -5.271 1.087 1.00 0.00 C ATOM 1298 O THR A 85 -12.719 -5.001 1.890 1.00 0.00 O ATOM 1299 CB THR A 85 -15.361 -3.407 0.988 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.784 -3.353 0.929 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.916 -3.069 -0.436 1.00 0.00 C ATOM 0 H THR A 85 -14.638 -4.719 3.415 1.00 0.00 H new ATOM 0 HA THR A 85 -15.674 -5.508 0.744 1.00 0.00 H new ATOM 0 HB THR A 85 -14.866 -2.737 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.147 -3.293 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.154 -2.028 -0.654 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.841 -3.222 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.436 -3.716 -1.143 1.00 0.00 H new ATOM 1309 N THR A 86 -13.425 -5.918 -0.054 1.00 0.00 N ATOM 1310 CA THR A 86 -12.102 -6.370 -0.449 1.00 0.00 C ATOM 1311 C THR A 86 -11.306 -5.217 -1.064 1.00 0.00 C ATOM 1312 O THR A 86 -11.803 -4.514 -1.943 1.00 0.00 O ATOM 1313 CB THR A 86 -12.272 -7.562 -1.394 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.059 -8.486 -0.647 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.958 -8.305 -1.641 1.00 0.00 C ATOM 0 H THR A 86 -14.167 -6.140 -0.717 1.00 0.00 H new ATOM 0 HA THR A 86 -11.523 -6.700 0.414 1.00 0.00 H new ATOM 0 HB THR A 86 -12.678 -7.217 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.219 -9.289 -1.185 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.134 -9.141 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.233 -7.624 -2.087 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.569 -8.680 -0.695 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.084 -5.058 -0.578 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.214 -4.002 -1.068 1.00 0.00 C ATOM 1325 C TYR A 87 -7.786 -4.514 -1.262 1.00 0.00 C ATOM 1326 O TYR A 87 -7.366 -5.461 -0.598 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.213 -2.920 0.014 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.368 -1.924 -0.101 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -10.255 -0.829 -0.934 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -11.524 -2.120 0.628 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -11.343 0.108 -1.042 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -12.611 -1.182 0.520 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.467 -0.114 -0.309 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.494 0.771 -0.412 1.00 0.00 O ATOM 0 H TYR A 87 -9.675 -5.643 0.151 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.566 -3.630 -2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.256 -3.399 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.270 -2.375 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.351 -0.675 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.613 -2.977 1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.268 0.968 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.521 -1.324 1.085 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.360 1.338 -1.200 1.00 0.00 H new ATOM 1344 N THR A 88 -7.078 -3.866 -2.175 1.00 0.00 N ATOM 1345 CA THR A 88 -5.705 -4.244 -2.465 1.00 0.00 C ATOM 1346 C THR A 88 -4.772 -3.044 -2.286 1.00 0.00 C ATOM 1347 O THR A 88 -4.896 -2.046 -2.994 1.00 0.00 O ATOM 1348 CB THR A 88 -5.666 -4.839 -3.874 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.794 -6.242 -3.661 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.295 -4.686 -4.536 1.00 0.00 C ATOM 0 H THR A 88 -7.429 -3.081 -2.724 1.00 0.00 H new ATOM 0 HA THR A 88 -5.347 -5.001 -1.767 1.00 0.00 H new ATOM 0 HB THR A 88 -6.423 -4.358 -4.493 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.245 -6.650 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.322 -5.125 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.043 -3.628 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.542 -5.196 -3.935 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.860 -3.181 -1.335 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.906 -2.121 -1.054 1.00 0.00 C ATOM 1360 C ILE A 89 -1.593 -2.417 -1.780 1.00 0.00 C ATOM 1361 O ILE A 89 -0.953 -3.436 -1.524 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.746 -1.932 0.456 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.074 -2.155 1.181 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.141 -0.563 0.775 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.155 -1.213 0.648 1.00 0.00 C ATOM 0 H ILE A 89 -3.761 -4.010 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.272 -1.167 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.050 -2.686 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.393 -3.189 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.940 -1.993 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.038 -0.454 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.160 -0.480 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.794 0.221 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.089 -1.393 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.844 -0.179 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.304 -1.395 -0.416 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.228 -1.507 -2.671 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.002 -1.657 -3.436 1.00 0.00 C ATOM 1379 C GLU A 90 1.097 -0.763 -2.859 1.00 0.00 C ATOM 1380 O GLU A 90 0.981 0.462 -2.882 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.238 -1.349 -4.916 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.339 -2.242 -5.493 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.222 -1.463 -6.469 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -1.880 -0.289 -6.731 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.219 -2.058 -6.932 1.00 0.00 O ATOM 0 H GLU A 90 -1.760 -0.662 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 90 0.324 -2.694 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.516 -0.301 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.686 -1.498 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.891 -3.094 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.950 -2.641 -4.683 1.00 0.00 H new ATOM 1392 N VAL A 91 2.137 -1.409 -2.355 1.00 0.00 N ATOM 1393 CA VAL A 91 3.256 -0.688 -1.772 1.00 0.00 C ATOM 1394 C VAL A 91 4.459 -0.774 -2.714 1.00 0.00 C ATOM 1395 O VAL A 91 4.971 -1.861 -2.975 1.00 0.00 O ATOM 1396 CB VAL A 91 3.554 -1.226 -0.371 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.811 -0.576 0.210 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.355 -1.030 0.558 1.00 0.00 C ATOM 0 H VAL A 91 2.229 -2.425 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 91 3.010 0.367 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 91 3.740 -2.297 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.000 -0.976 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.663 -0.791 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.667 0.503 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.593 -1.421 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.123 0.032 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.493 -1.562 0.156 1.00 0.00 H new ATOM 1408 N ALA A 92 4.875 0.387 -3.199 1.00 0.00 N ATOM 1409 CA ALA A 92 6.008 0.456 -4.106 1.00 0.00 C ATOM 1410 C ALA A 92 7.123 1.280 -3.459 1.00 0.00 C ATOM 1411 O ALA A 92 6.870 2.068 -2.549 1.00 0.00 O ATOM 1412 CB ALA A 92 5.554 1.039 -5.446 1.00 0.00 C ATOM 0 H ALA A 92 4.448 1.287 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 92 6.405 -0.540 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.404 1.091 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.782 0.402 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.152 2.040 -5.290 1.00 0.00 H new ATOM 1418 N ALA A 93 8.334 1.070 -3.955 1.00 0.00 N ATOM 1419 CA ALA A 93 9.489 1.784 -3.438 1.00 0.00 C ATOM 1420 C ALA A 93 9.843 2.929 -4.388 1.00 0.00 C ATOM 1421 O ALA A 93 9.342 2.987 -5.510 1.00 0.00 O ATOM 1422 CB ALA A 93 10.649 0.806 -3.245 1.00 0.00 C ATOM 0 H ALA A 93 8.540 0.415 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 93 9.266 2.221 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.516 1.341 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.356 0.029 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.903 0.349 -4.202 1.00 0.00 H new ATOM 1428 N MET A 94 10.705 3.812 -3.904 1.00 0.00 N ATOM 1429 CA MET A 94 11.132 4.952 -4.697 1.00 0.00 C ATOM 1430 C MET A 94 12.628 5.216 -4.515 1.00 0.00 C ATOM 1431 O MET A 94 13.119 5.279 -3.389 1.00 0.00 O ATOM 1432 CB MET A 94 10.340 6.192 -4.276 1.00 0.00 C ATOM 1433 CG MET A 94 8.890 6.105 -4.757 1.00 0.00 C ATOM 1434 SD MET A 94 8.085 7.685 -4.557 1.00 0.00 S ATOM 1435 CE MET A 94 8.879 8.251 -3.062 1.00 0.00 C ATOM 0 H MET A 94 11.119 3.761 -2.973 1.00 0.00 H new ATOM 0 HA MET A 94 10.946 4.730 -5.748 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.362 6.291 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.810 7.085 -4.687 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.863 5.804 -5.804 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.356 5.341 -4.192 1.00 0.00 H new ATOM 0 HE1 MET A 94 8.415 9.181 -2.734 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.769 7.496 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 94 9.938 8.422 -3.255 1.00 0.00 H new ATOM 1445 N THR A 95 13.312 5.364 -5.641 1.00 0.00 N ATOM 1446 CA THR A 95 14.742 5.620 -5.620 1.00 0.00 C ATOM 1447 C THR A 95 15.054 6.958 -6.293 1.00 0.00 C ATOM 1448 O THR A 95 14.154 7.762 -6.532 1.00 0.00 O ATOM 1449 CB THR A 95 15.445 4.430 -6.277 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.482 3.924 -7.198 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.673 3.274 -5.302 1.00 0.00 C ATOM 0 H THR A 95 12.902 5.311 -6.573 1.00 0.00 H new ATOM 0 HA THR A 95 15.113 5.712 -4.599 1.00 0.00 H new ATOM 0 HB THR A 95 16.402 4.754 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.930 3.664 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.175 2.456 -5.819 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.293 3.614 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.714 2.927 -4.918 1.00 0.00 H new ATOM 1459 N SER A 96 16.332 7.155 -6.580 1.00 0.00 N ATOM 1460 CA SER A 96 16.775 8.382 -7.221 1.00 0.00 C ATOM 1461 C SER A 96 16.531 8.301 -8.730 1.00 0.00 C ATOM 1462 O SER A 96 16.916 9.202 -9.473 1.00 0.00 O ATOM 1463 CB SER A 96 18.254 8.650 -6.936 1.00 0.00 C ATOM 1464 OG SER A 96 19.104 8.025 -7.894 1.00 0.00 O ATOM 0 H SER A 96 17.075 6.486 -6.381 1.00 0.00 H new ATOM 0 HA SER A 96 16.198 9.210 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.435 9.725 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.503 8.287 -5.939 1.00 0.00 H new ATOM 0 HG SER A 96 20.040 8.221 -7.678 1.00 0.00 H new ATOM 1470 N LYS A 97 15.893 7.214 -9.137 1.00 0.00 N ATOM 1471 CA LYS A 97 15.593 7.004 -10.543 1.00 0.00 C ATOM 1472 C LYS A 97 14.080 7.083 -10.755 1.00 0.00 C ATOM 1473 O LYS A 97 13.616 7.682 -11.724 1.00 0.00 O ATOM 1474 CB LYS A 97 16.216 5.695 -11.034 1.00 0.00 C ATOM 1475 CG LYS A 97 15.147 4.758 -11.599 1.00 0.00 C ATOM 1476 CD LYS A 97 14.714 5.200 -12.998 1.00 0.00 C ATOM 1477 CE LYS A 97 13.193 5.340 -13.083 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.642 4.408 -14.092 1.00 0.00 N ATOM 0 H LYS A 97 15.575 6.469 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 97 16.041 7.791 -11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.961 5.908 -11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.737 5.205 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.535 3.740 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.283 4.744 -10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.185 6.152 -13.244 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.058 4.474 -13.735 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.748 5.135 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.930 6.365 -13.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.609 4.516 -14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.053 4.622 -15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.877 3.430 -13.826 1.00 0.00 H new ATOM 1492 N GLY A 98 13.353 6.469 -9.833 1.00 0.00 N ATOM 1493 CA GLY A 98 11.902 6.463 -9.906 1.00 0.00 C ATOM 1494 C GLY A 98 11.312 5.378 -9.003 1.00 0.00 C ATOM 1495 O GLY A 98 11.881 5.055 -7.961 1.00 0.00 O ATOM 0 H GLY A 98 13.742 5.972 -9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.515 7.438 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.587 6.295 -10.936 1.00 0.00 H new ATOM 1499 N GLN A 99 10.178 4.845 -9.434 1.00 0.00 N ATOM 1500 CA GLN A 99 9.505 3.804 -8.677 1.00 0.00 C ATOM 1501 C GLN A 99 9.739 2.439 -9.328 1.00 0.00 C ATOM 1502 O GLN A 99 9.818 2.336 -10.551 1.00 0.00 O ATOM 1503 CB GLN A 99 8.009 4.100 -8.547 1.00 0.00 C ATOM 1504 CG GLN A 99 7.313 3.042 -7.688 1.00 0.00 C ATOM 1505 CD GLN A 99 5.808 3.019 -7.960 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.036 3.770 -7.386 1.00 0.00 O ATOM 1507 NE2 GLN A 99 5.434 2.118 -8.864 1.00 0.00 N ATOM 0 H GLN A 99 9.708 5.115 -10.298 1.00 0.00 H new ATOM 0 HA GLN A 99 9.926 3.783 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.867 5.085 -8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.553 4.128 -9.537 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.739 2.061 -7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.492 3.249 -6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.132 1.520 -9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.450 2.025 -9.114 1.00 0.00 H new ATOM 1516 N GLY A 100 9.842 1.425 -8.481 1.00 0.00 N ATOM 1517 CA GLY A 100 10.065 0.071 -8.959 1.00 0.00 C ATOM 1518 C GLY A 100 8.797 -0.774 -8.823 1.00 0.00 C ATOM 1519 O GLY A 100 7.687 -0.247 -8.875 1.00 0.00 O ATOM 0 H GLY A 100 9.775 1.514 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.379 0.097 -10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.875 -0.389 -8.394 1.00 0.00 H new ATOM 1523 N GLN A 101 9.004 -2.071 -8.651 1.00 0.00 N ATOM 1524 CA GLN A 101 7.892 -2.995 -8.507 1.00 0.00 C ATOM 1525 C GLN A 101 6.940 -2.512 -7.411 1.00 0.00 C ATOM 1526 O GLN A 101 7.143 -1.445 -6.833 1.00 0.00 O ATOM 1527 CB GLN A 101 8.390 -4.412 -8.215 1.00 0.00 C ATOM 1528 CG GLN A 101 7.882 -5.399 -9.268 1.00 0.00 C ATOM 1529 CD GLN A 101 9.025 -6.259 -9.811 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.220 -7.397 -9.418 1.00 0.00 O ATOM 1531 NE2 GLN A 101 9.768 -5.652 -10.732 1.00 0.00 N ATOM 0 H GLN A 101 9.926 -2.504 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 101 7.345 -3.025 -9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.480 -4.422 -8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.053 -4.724 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.116 -6.040 -8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.412 -4.853 -10.086 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.549 -4.697 -11.016 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.557 -6.142 -11.155 1.00 0.00 H new ATOM 1540 N VAL A 102 5.921 -3.320 -7.158 1.00 0.00 N ATOM 1541 CA VAL A 102 4.937 -2.989 -6.141 1.00 0.00 C ATOM 1542 C VAL A 102 4.361 -4.279 -5.555 1.00 0.00 C ATOM 1543 O VAL A 102 4.255 -5.288 -6.251 1.00 0.00 O ATOM 1544 CB VAL A 102 3.866 -2.069 -6.731 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.713 -2.881 -7.325 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.356 -1.079 -5.682 1.00 0.00 C ATOM 0 H VAL A 102 5.755 -4.204 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 102 5.403 -2.441 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 102 4.323 -1.496 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.965 -2.203 -7.738 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.093 -3.527 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.258 -3.491 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.596 -0.437 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.924 -1.627 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.185 -0.467 -5.326 1.00 0.00 H new ATOM 1556 N SER A 103 4.003 -4.205 -4.282 1.00 0.00 N ATOM 1557 CA SER A 103 3.440 -5.355 -3.595 1.00 0.00 C ATOM 1558 C SER A 103 1.974 -5.091 -3.247 1.00 0.00 C ATOM 1559 O SER A 103 1.678 -4.379 -2.288 1.00 0.00 O ATOM 1560 CB SER A 103 4.235 -5.684 -2.329 1.00 0.00 C ATOM 1561 OG SER A 103 5.324 -6.562 -2.596 1.00 0.00 O ATOM 0 H SER A 103 4.092 -3.367 -3.708 1.00 0.00 H new ATOM 0 HA SER A 103 3.499 -6.215 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.613 -4.761 -1.888 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.573 -6.141 -1.594 1.00 0.00 H new ATOM 0 HG SER A 103 5.807 -6.746 -1.764 1.00 0.00 H new ATOM 1567 N ALA A 104 1.094 -5.678 -4.045 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.334 -5.514 -3.833 1.00 0.00 C ATOM 1569 C ALA A 104 -0.871 -6.719 -3.058 1.00 0.00 C ATOM 1570 O ALA A 104 -0.757 -7.856 -3.513 1.00 0.00 O ATOM 1571 CB ALA A 104 -1.032 -5.331 -5.182 1.00 0.00 C ATOM 0 H ALA A 104 1.342 -6.268 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.534 -4.623 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.103 -5.208 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.635 -4.447 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.856 -6.208 -5.805 1.00 0.00 H new ATOM 1577 N SER A 105 -1.447 -6.428 -1.900 1.00 0.00 N ATOM 1578 CA SER A 105 -2.002 -7.473 -1.057 1.00 0.00 C ATOM 1579 C SER A 105 -3.497 -7.231 -0.840 1.00 0.00 C ATOM 1580 O SER A 105 -3.898 -6.150 -0.410 1.00 0.00 O ATOM 1581 CB SER A 105 -1.275 -7.542 0.287 1.00 0.00 C ATOM 1582 OG SER A 105 -0.609 -8.788 0.471 1.00 0.00 O ATOM 0 H SER A 105 -1.541 -5.484 -1.526 1.00 0.00 H new ATOM 0 HA SER A 105 -1.864 -8.429 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.550 -6.731 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.991 -7.391 1.095 1.00 0.00 H new ATOM 0 HG SER A 105 -0.156 -8.791 1.340 1.00 0.00 H new ATOM 1588 N THR A 106 -4.281 -8.254 -1.146 1.00 0.00 N ATOM 1589 CA THR A 106 -5.723 -8.166 -0.990 1.00 0.00 C ATOM 1590 C THR A 106 -6.108 -8.294 0.486 1.00 0.00 C ATOM 1591 O THR A 106 -5.638 -9.196 1.177 1.00 0.00 O ATOM 1592 CB THR A 106 -6.361 -9.235 -1.879 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.434 -9.395 -2.949 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.638 -8.741 -2.563 1.00 0.00 C ATOM 0 H THR A 106 -3.945 -9.149 -1.502 1.00 0.00 H new ATOM 0 HA THR A 106 -6.097 -7.193 -1.308 1.00 0.00 H new ATOM 0 HB THR A 106 -6.587 -10.117 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.315 -8.538 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.051 -9.538 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.368 -8.454 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.406 -7.879 -3.188 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.958 -7.378 0.924 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.412 -7.377 2.304 1.00 0.00 C ATOM 1604 C ILE A 107 -8.857 -6.877 2.361 1.00 0.00 C ATOM 1605 O ILE A 107 -9.181 -5.836 1.791 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.449 -6.576 3.184 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.982 -6.459 4.613 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.154 -5.207 2.568 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.769 -7.761 5.386 1.00 0.00 C ATOM 0 H ILE A 107 -7.345 -6.631 0.347 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.409 -8.390 2.707 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.504 -7.116 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.478 -5.640 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.044 -6.215 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.468 -4.658 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.701 -5.340 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.083 -4.646 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.157 -7.651 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.294 -8.573 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.704 -7.989 5.428 1.00 0.00 H new ATOM 1621 N SER A 108 -9.687 -7.643 3.054 1.00 0.00 N ATOM 1622 CA SER A 108 -11.090 -7.291 3.193 1.00 0.00 C ATOM 1623 C SER A 108 -11.334 -6.641 4.556 1.00 0.00 C ATOM 1624 O SER A 108 -11.090 -7.255 5.594 1.00 0.00 O ATOM 1625 CB SER A 108 -11.985 -8.520 3.024 1.00 0.00 C ATOM 1626 OG SER A 108 -13.359 -8.215 3.247 1.00 0.00 O ATOM 0 H SER A 108 -9.415 -8.506 3.525 1.00 0.00 H new ATOM 0 HA SER A 108 -11.343 -6.579 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.862 -8.923 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.669 -9.297 3.720 1.00 0.00 H new ATOM 0 HG SER A 108 -13.897 -9.025 3.128 1.00 0.00 H new ATOM 1632 N SER A 109 -11.812 -5.406 4.510 1.00 0.00 N ATOM 1633 CA SER A 109 -12.092 -4.666 5.729 1.00 0.00 C ATOM 1634 C SER A 109 -12.650 -5.608 6.797 1.00 0.00 C ATOM 1635 O SER A 109 -13.483 -6.464 6.501 1.00 0.00 O ATOM 1636 CB SER A 109 -13.073 -3.522 5.465 1.00 0.00 C ATOM 1637 OG SER A 109 -14.181 -3.940 4.674 1.00 0.00 O ATOM 0 H SER A 109 -12.012 -4.899 3.648 1.00 0.00 H new ATOM 0 HA SER A 109 -11.159 -4.233 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.434 -3.128 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.553 -2.708 4.959 1.00 0.00 H new ATOM 0 HG SER A 109 -14.410 -3.235 4.033 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.169 -5.419 8.017 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.610 -6.241 9.131 1.00 0.00 C ATOM 1645 C GLY A 110 -14.133 -6.204 9.272 1.00 0.00 C ATOM 1646 O GLY A 110 -14.830 -7.068 8.744 1.00 0.00 O ATOM 0 H GLY A 110 -11.478 -4.709 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.280 -7.269 8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.147 -5.889 10.053 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.604 -5.192 9.987 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.032 -5.031 10.203 1.00 0.00 C ATOM 1652 C VAL A 111 -16.278 -3.762 11.023 1.00 0.00 C ATOM 1653 O VAL A 111 -15.505 -3.441 11.924 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.607 -6.287 10.860 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.878 -6.606 12.166 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.113 -6.144 11.092 1.00 0.00 C ATOM 0 H VAL A 111 -14.023 -4.476 10.423 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.551 -4.911 9.252 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.451 -7.123 10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.307 -7.503 12.612 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.820 -6.772 11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.987 -5.770 12.857 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.497 -7.051 11.560 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.301 -5.291 11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.615 -5.988 10.137 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.387 -3.057 10.671 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.745 -1.831 11.364 1.00 0.00 C ATOM 1668 C PRO A 112 -18.332 -2.133 12.744 1.00 0.00 C ATOM 1669 O PRO A 112 -19.278 -2.910 12.865 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.728 -1.131 10.441 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.240 -2.199 9.488 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.326 -3.408 9.609 1.00 0.00 C ATOM 0 HA PRO A 112 -16.884 -1.194 11.564 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.547 -0.688 11.007 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.243 -0.321 9.896 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.267 -2.470 9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.246 -1.826 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.889 -4.307 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.807 -3.608 8.671 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.731 -1.485 13.778 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.184 -1.676 15.146 1.00 0.00 C ATOM 1682 C PRO A 113 -19.497 -0.931 15.397 1.00 0.00 C ATOM 1683 O PRO A 113 -19.598 -0.144 16.337 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.041 -1.173 16.012 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.188 -0.296 15.110 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.609 -0.557 13.673 1.00 0.00 C ATOM 0 HA PRO A 113 -18.410 -2.718 15.373 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.417 -0.607 16.864 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.460 -2.004 16.412 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.323 0.756 15.362 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.131 -0.524 15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -16.904 0.366 13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.792 -0.987 13.093 1.00 0.00 H new